3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide

C16H24N2O2 — CID 107411017

IUPAC3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide
SMILESCC1CCC(CNC(=O)CCOc2ccc(N)cc2)C1
InChIInChI=1S/C16H24N2O2/c1-12-2-3-13(10-12)11-18-16(19)8-9-20-15-6-4-14(17)5-7-15/h4-7,12-13H,2-3,8-11,17H2,1H3,(H,18,19)
InChIKeyYIMPRHDGFOWBKV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.59
Rot. Bonds6

About 3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide

3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide (PubChem CID 107411017) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide
PubChem CID107411017
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide
SMILESCC1CCC(CNC(=O)CCOc2ccc(N)cc2)C1
InChIInChI=1S/C16H24N2O2/c1-12-2-3-13(10-12)11-18-16(19)8-9-20-15-6-4-14(17)5-7-15/h4-7,12-13H,2-3,8-11,17H2,1H3,(H,18,19)
InChIKeyYIMPRHDGFOWBKV-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide
CID 61112787
N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide
CID 103280339
3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103279901
3-(4-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102913
2-(5-amino-2-pyridinyl)-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413069
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486
N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide
CID 106123073
(4-methylcyclohexyl) 3-(4-aminophenoxy)propanoate
CID 61310429
[4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid
CID 174110180
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66006892
2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107412345

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide (CID 107411017) is 3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide is CC1CCC(CNC(=O)CCOc2ccc(N)cc2)C1.
What is the InChIKey of 3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide?
The InChIKey is YIMPRHDGFOWBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-2-3-13(10-12)11-18-16(19)8-9-20-15-6-4-14(17)5-7-15/h4-7,12-13H,2-3,8-11,17H2,1H3,(H,18,19).
What are the key properties of 3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide?
3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 107411017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).